Geometry & MOs

Info

ID:	193930
PubChem CID:	78457788
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	2.95
IP(EA), eV:	-9.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CC2C(C1)NC(=O)NC2SCC(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations